Changeset 0647f4 for molecuilder


Ignore:
Timestamp:
May 8, 2010, 12:17:30 PM (16 years ago)
Author:
Frederik Heber <heber@…>
Children:
401b97
Parents:
abde75 (diff), d3513b (diff)
Note: this is a merge changeset, the changes displayed below correspond to the merge itself.
Use the (diff) links above to see all the changes relative to each parent.
Message:

Merge branch 'StateAndFormatParser' into CommandLineActionMapping

Conflicts:

molecuilder/src/Makefile.am
molecuilder/src/tesselation.cpp
molecuilder/src/unittests/Makefile.am

The following conflicts had to be resolved:

  • molecuilder/src/Makefile.am had an old version of the HEADER definition which would not be merged automatically. ${PARSERHEADER} was missing.
  • molecuilder/src/unittests/Makefile.am had an blank line too much
  • TesselPoint::TesselPoint() had an older version where TesselPoint::Name was initialized to "-" instead of NULL. The latter should be correct due to missing delete(Name) in destructor.
  • compilation errors arose due to the private nature of Vector::x[] introduced in the branch VectorRefactoring. This has been fixed in XyzParser, TremoloParser and the ParserUnitTest.
  • ParserUnitTest runs fine.

Signed-off-by: Frederik Heber <heber@…>

Location:
molecuilder/src
Files:
10 added
7 edited

Legend:

Unmodified
Added
Removed

  • molecuilder/src/Makefile.am

    rabde75 r0647f4  
    5050                           
    5151
     52PARSERSOURCE = Parser/ChangeTracker.cpp Parser/FormatParser.cpp Parser/TremoloParser.cpp Parser/XyzParser.cpp
     53PARSERHEADER = Parser/ChangeTracker.hpp Parser/FormatParser.hpp Parser/TremoloParser.hpp Parser/XyzParser.hpp
     54
    5255PATTERNSOURCE = Patterns/Observer.cpp
    5356PATTERNHEADER = Patterns/Cacheable.hpp \
    … …  
    98101                 ${ATOMSOURCE} \
    99102                 ${PATTERNSOURCE} \
     103                 ${PARSERSOURCE} \
    100104                 ${UISOURCE} \
    101105                 ${DESCRIPTORSOURCE} \
    … …  
    140144          ${ANALYSISHEADER} \
    141145          ${ATOMHEADER} \
     146          ${PARSERHEADER} \
    142147          ${PATTERNHEADER} \
    143148          ${UIHEADER} \

  • molecuilder/src/atom_bondedparticle.cpp

    rabde75 r0647f4  
    7474      *BondFile << nr << "\t" << (*Runner)->GetOtherAtom(this)->nr << "\n";
    7575};
     76
     77/**
     78 * Adds a bond between this bonded particle and another. Does nothing if this
     79 * bond already exists.
     80 *
     81 * \param bonding partner
     82 */
     83void BondedParticle::addBond(BondedParticle* Partner) {
     84  if (IsBondedTo(Partner)) {
     85    return;
     86  }
     87
     88  bond* newBond = new bond((atom*) this, (atom*) Partner, 1, 0);
     89  RegisterBond(newBond);
     90  Partner->RegisterBond(newBond);
     91}
    7692
    7793/** Puts a given bond into atom::ListOfBonds.

  • molecuilder/src/atom_bondedparticle.hpp

    rabde75 r0647f4  
    3737  virtual ~BondedParticle();
    3838
     39  void addBond(BondedParticle* Partner);
    3940  bool RegisterBond(bond *Binder);
    4041  bool UnregisterBond(bond *Binder);

  • molecuilder/src/atom_particleinfo.cpp

    rabde75 r0647f4  
    1616    nr(pointer->nr),
    1717    Name(pointer->Name)
    18     {}
     18    {
     19      if (Name == NULL)
     20        Name = " ";
     21    }
    1922
    2023

  • molecuilder/src/bond.cpp

    rabde75 r0647f4  
    1515/** Empty Constructor for class bond.
    1616 */
    17 bond::bond() : leftatom(NULL), rightatom(NULL), previous(NULL), next(NULL), HydrogenBond(0), BondDegree(0), nr(-1), Cyclic(false), Type(Undetermined), Used(white)
     17bond::bond()
     18  : leftatom(NULL), rightatom(NULL), previous(NULL), next(NULL), HydrogenBond(0),
     19    BondDegree(0), nr(-1), Cyclic(false), Type(Undetermined), Used(white)
    1820{
    1921};
    … …  
    2527 * \param number increasing index
    2628 */
    27 bond::bond(atom *left, atom *right, const int degree, const int number) : leftatom(left), rightatom(right), previous(NULL), next(NULL), HydrogenBond(0), BondDegree(degree), nr(number), Cyclic(false), Type(Undetermined), Used(white)
     29bond::bond(atom *left, atom *right, const int degree, const int number)
     30  : leftatom(left), rightatom(right), previous(NULL), next(NULL), HydrogenBond(0),
     31    BondDegree(degree), nr(number), Cyclic(false), Type(Undetermined), Used(white)
    2832{
    2933  if ((left != NULL) && (right != NULL)) {

  • molecuilder/src/unittests/Makefile.am

    rabde75 r0647f4  
    3232  PlaneUnittest \
    3333  ObserverTest \
     34  ParserUnitTest \
    3435  SingletonTest \
    3536  StackClassUnitTest \
    … …  
    7374  PlaneUnittest.cpp \
    7475  ObserverTest.cpp \
     76  ParserUnitTest.cpp \
    7577  SingletonTest.cpp \
    7678  stackclassunittest.cpp \
    … …  
    204206AtomDescriptorTest_LDADD = ${ALLLIBS}
    205207
     208ParserUnitTest_SOURCES = UnitTestMain.cpp ParserUnitTest.cpp ParserUnitTest.hpp
     209ParserUnitTest_LDADD = ${ALLLIBS}
     210
    206211manipulateAtomsTest_SOURCES = UnitTestMain.cpp manipulateAtomsTest.cpp manipulateAtomsTest.hpp
    207212manipulateAtomsTest_LDADD = ${ALLLIBS}

  • molecuilder/src/unittests/SingletonTest.cpp

    rabde75 r0647f4  
    5252    count1++;
    5353  }
    54   // explicit copy constructor to catch if thsi is ever called
     54  // explicit copy constructor to catch if this is ever called
    5555  SingletonStub2(const SingletonStub2&){
    5656    CPPUNIT_FAIL    ( "Copy constructor of Singleton called" );
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